General Information of the Compound
| Compound ID |
CP0323802
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| Compound Name |
US9242977, 65-1
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| Structure |
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| Formula |
C33H34N8O3S
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| Molecular Weight |
622.755
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| Canonical SMILES |
Cc1ccc(cc1C)-n1nc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cnc(s2)N2CCCC2=O)nc1)C(C)(C)C
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| InChI |
InChI=1S/C33H34N8O3S/c1-20-8-11-24(15-21(20)2)41-28(16-27(39-41)33(3,4)5)38-30(43)37-23-17-34-31(35-18-23)44-25-12-9-22(10-13-25)26-19-36-32(45-26)40-14-6-7-29(40)42/h8-13,15-19H,6-7,14H2,1-5H3,(H2,37,38,43)
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| InChIKey |
AJHPWAKXLXZBRY-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound